2-(methylamino)-N-[(4-methylphenyl)methyl]-N-propylacetamide

C14H22N2O — CID 60686287

IUPAC2-(methylamino)-N-[(4-methylphenyl)methyl]-N-propylacetamide
SMILESCCCN(Cc1ccc(C)cc1)C(=O)CNC
InChIInChI=1S/C14H22N2O/c1-4-9-16(14(17)10-15-3)11-13-7-5-12(2)6-8-13/h5-8,15H,4,9-11H2,1-3H3
InChIKeyFSEMNQRSFKJICE-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.95
Rot. Bonds6

About 2-(methylamino)-N-[(4-methylphenyl)methyl]-N-propylacetamide

2-(methylamino)-N-[(4-methylphenyl)methyl]-N-propylacetamide (PubChem CID 60686287) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(methylamino)-N-[(4-methylphenyl)methyl]-N-propylacetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(4-methylphenyl)methyl]-N-propylacetamide
PubChem CID60686287
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(methylamino)-N-[(4-methylphenyl)methyl]-N-propylacetamide
SMILESCCCN(Cc1ccc(C)cc1)C(=O)CNC
InChIInChI=1S/C14H22N2O/c1-4-9-16(14(17)10-15-3)11-13-7-5-12(2)6-8-13/h5-8,15H,4,9-11H2,1-3H3
InChIKeyFSEMNQRSFKJICE-UHFFFAOYSA-N
XLogP1.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(methylamino)-N-propylacetamide
CID 43401552
3-amino-N-[(4-methylphenyl)methyl]-N-propylbutanamide
CID 54869448
3-[butanoyl-[(4-methylphenyl)methyl]amino]propanoic acid
CID 82323385
N-methyl-4-[[methyl-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]amino]methyl]benzamide
CID 9125001
2-(2-methoxyethoxy)-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 103602434
N-benzyl-N-(2-hydroxyethyl)-2-(methylamino)acetamide
CID 58786294
N-[(4-bromophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide
CID 120705145
N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide
CID 54869876
N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 120705142
N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120703570
N-cyclopropyl-2-[methyl-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]amino]acetamide
CID 8910208
2-methyl-3-[methyl-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]amino]propanoic acid
CID 122120137

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(4-methylphenyl)methyl]-N-propylacetamide?
The IUPAC name of 2-(methylamino)-N-[(4-methylphenyl)methyl]-N-propylacetamide (CID 60686287) is 2-(methylamino)-N-[(4-methylphenyl)methyl]-N-propylacetamide.
What is the SMILES notation for 2-(methylamino)-N-[(4-methylphenyl)methyl]-N-propylacetamide?
The canonical SMILES for 2-(methylamino)-N-[(4-methylphenyl)methyl]-N-propylacetamide is CCCN(Cc1ccc(C)cc1)C(=O)CNC.
What is the InChIKey of 2-(methylamino)-N-[(4-methylphenyl)methyl]-N-propylacetamide?
The InChIKey is FSEMNQRSFKJICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-9-16(14(17)10-15-3)11-13-7-5-12(2)6-8-13/h5-8,15H,4,9-11H2,1-3H3.
What are the key properties of 2-(methylamino)-N-[(4-methylphenyl)methyl]-N-propylacetamide?
2-(methylamino)-N-[(4-methylphenyl)methyl]-N-propylacetamide has a molecular weight of 234.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(4-methylphenyl)methyl]-N-propylacetamide is sourced from PubChem (CID 60686287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).